Citric Acid → HCID 3572750, compound

HRID 2149458Notes

Reaction equation

HRID 2149458 reaction equation
[CH3:58][N:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1.[NH2:13][c:14]1[n:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[nH:22]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:47].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1.[OH:65][C:66]([CH2:67][C:68]([C:69](=[O:70])[OH:71])([CH2:72][C:73](=[O:74])[OH:75])[OH:76])=[O:77].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:13][c:14]2[n:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[nH:22]2)[cH:10][cH:11][cH:12]1

Participants

10

Reactant 9

HCID 311Citric AcidHCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 84973-Nitrobenzoic acidHCID 9886HexafluorophosphateHCID 136242-AminobenzimidazoleHCID 757711-HydroxybenzotriazoleHCID 130500O-benzotriazol-1-yl-tetramethyluronium

Product 1

HCID 3572750HCID 3572750, compound

Sources & evidence

ORD record
ord-99ade70492ec49fc9391a57ca9a2e7ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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